#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjj h LEU 2 N 0.00 0.00 -0.53 1.20 3.38 -1.36 1.09 115.31 119.09 1bjj h LEU 2 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1bjj h LEU 2 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1bjj h LEU 2 CO 0.00 0.00 -0.22 -0.07 0.09 0.00 0.00 178.44 178.24 1bjj h LEU 3 N 0.00 0.98 -0.84 1.67 -0.00 -1.99 0.19 115.31 115.32 1bjj h LEU 3 Ca 0.65 -0.37 -0.11 0.00 -0.00 0.00 0.00 57.88 58.05 1bjj h LEU 3 Cb 3.08 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 43.45 1bjj h LEU 3 CO -0.01 1.15 -0.54 1.56 -0.00 0.00 0.00 178.44 180.60 1bjj h GLN 4 N 0.83 0.00 -0.09 1.13 4.20 0.81 -2.46 115.11 119.53 1bjj h GLN 4 Ca 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1bjj h GLN 4 Cb 0.79 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 1bjj h GLN 4 CO 0.07 0.54 -0.03 0.35 -0.67 0.00 0.00 178.83 179.09 1bjj h PHE 5 N 0.00 0.20 -0.42 2.96 3.57 -0.95 -2.28 116.94 120.02 1bjj h PHE 5 Ca -0.01 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.50 1bjj h PHE 5 Cb 1.02 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1bjj h PHE 5 CO 0.00 0.52 0.28 -0.91 -2.23 0.00 0.00 178.31 175.98 1bjj h ASN 6 N -0.18 0.29 -0.09 0.41 2.35 -0.77 -0.65 115.58 116.94 1bjj h ASN 6 Ca 0.02 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1bjj h ASN 6 Cb 0.46 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1bjj h ASN 6 CO 0.01 0.19 -0.01 0.50 -1.65 0.00 0.00 177.43 176.48 1bjj h LYS 7 N 0.34 0.17 -0.82 0.81 1.63 -1.26 -1.66 116.57 115.78 1bjj h LYS 7 Ca 0.18 -0.06 0.10 0.00 -0.85 0.00 0.00 60.65 60.02 1bjj h LYS 7 Cb 0.30 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.84 1bjj h LYS 7 CO -0.04 0.45 0.46 0.52 -3.45 0.00 0.00 179.45 177.39 1bjj h MET 8 N -0.13 0.74 -0.37 1.90 2.86 -0.59 0.42 114.93 119.77 1bjj h MET 8 Ca 0.02 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1bjj h MET 8 Cb 0.38 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1bjj h MET 8 CO 0.01 0.49 0.11 0.82 1.06 0.00 0.00 176.91 179.40 1bjj h ILE 9 N 0.77 1.22 -0.03 -1.22 2.04 -1.04 -1.12 117.51 118.13 1bjj h ILE 9 Ca 0.40 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1bjj h ILE 9 Cb 0.39 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1bjj h ILE 9 CO -0.26 0.25 0.02 0.50 0.00 0.00 0.00 178.15 178.65 1bjj h LYS 10 N 0.44 0.03 -0.17 2.37 1.63 -0.46 -0.72 116.57 119.70 1bjj h LYS 10 Ca 0.12 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1bjj h LYS 10 Cb 0.27 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 1bjj h LYS 10 CO -0.00 0.06 0.07 0.93 -3.45 0.00 0.00 179.45 177.06 1bjj h GLU 12 N -0.00 0.16 -0.11 1.90 4.39 -0.85 0.60 114.58 120.67 1bjj h GLU 12 Ca 0.01 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 1bjj h GLU 12 Cb 0.04 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1bjj h GLU 12 CO -0.00 0.11 -0.51 0.93 -1.16 0.00 0.00 179.01 178.38 1bjj h GLU 13 N 0.16 0.55 0.00 2.33 4.39 -1.17 -3.35 114.58 117.49 1bjj h GLU 13 Ca 0.07 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1bjj h GLU 13 Cb 0.03 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1bjj h GLU 13 CO -0.06 1.06 -1.22 0.25 -1.16 0.00 0.00 179.01 177.88 1bjj n THR 14 N -4.22 0.00 -0.29 1.13 -2.24 -0.28 -4.77 114.28 103.62 1bjj n THR 14 Ca -0.08 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1bjj n THR 14 Cb 0.60 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1bjj n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bjj n GLY 15 N 1.44 1.89 3.93 3.38 0.00 0.21 -4.98 105.19 111.07 1bjj n GLY 15 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1bjj n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bjj s LYS 16 N -0.06 2.98 -0.01 1.61 1.02 -1.25 -4.98 119.74 119.05 1bjj s LYS 16 Ca 0.00 -1.11 -0.17 0.00 0.02 0.00 0.00 55.97 54.71 1bjj s LYS 16 Cb 0.00 -2.68 -0.06 0.00 -0.52 0.00 0.00 37.83 34.57 1bjj s LYS 16 CO 0.00 0.12 0.49 -0.80 -0.92 0.00 0.00 175.35 174.24 1bjj s ASN 17 N -4.08 6.87 0.28 2.83 0.02 -1.26 -3.34 114.94 116.26 1bjj s ASN 17 Ca 0.42 1.04 0.00 0.00 -1.02 0.00 0.00 52.86 53.30 1bjj s ASN 17 Cb -0.08 -2.30 0.65 0.00 0.02 0.00 0.00 41.25 39.54 1bjj s ASN 17 CO 0.29 0.21 1.66 0.00 0.02 0.00 0.00 177.10 179.28 1bjj h ALA 18 N 5.22 1.20 -3.37 0.60 0.00 -1.92 -3.18 119.26 117.82 1bjj h ALA 18 Ca -0.48 0.21 -0.65 0.00 0.00 0.00 0.00 54.91 53.99 1bjj h ALA 18 Cb 1.21 0.29 -0.22 0.00 0.00 0.00 0.00 17.79 19.07 1bjj h ALA 18 CO 0.66 -0.43 -0.68 0.42 0.00 0.00 0.00 179.25 179.22 1bjj s ILE 19 N -5.96 3.75 -0.80 0.00 1.01 -1.26 0.28 121.20 118.22 1bjj s ILE 19 Ca -0.12 -0.42 0.24 0.00 0.00 0.00 0.00 60.65 60.35 1bjj s ILE 19 Cb 0.25 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 1bjj s ILE 19 CO 0.77 0.52 1.22 -0.81 0.00 0.00 0.00 174.94 176.64 1bjj n PRO 20 N 3.24 0.15 -0.45 2.79 -0.04 -1.26 -4.93 135.00 134.50 1bjj n PRO 20 Ca -0.18 0.02 0.38 0.00 -0.04 0.00 0.00 63.50 63.68 1bjj n PRO 20 Cb 0.53 -1.57 0.70 0.00 -0.04 0.00 0.00 33.50 33.12 1bjj n PRO 20 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1bjj h PHE 21 N 0.00 0.25 0.00 0.54 0.04 -1.54 -2.95 116.94 113.29 1bjj h PHE 21 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1bjj h PHE 21 Cb 0.63 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1bjj h PHE 21 CO 0.00 -0.05 0.00 0.66 -0.60 0.00 0.00 178.31 178.32 1bjj n TYR 22 N -4.34 0.00 0.07 -0.55 4.01 0.14 -4.68 117.16 111.81 1bjj n TYR 22 Ca 0.34 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 58.06 1bjj n TYR 22 Cb 1.43 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 40.70 1bjj n TYR 22 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bjj h ALA 23 N 0.00 1.16 -1.20 -0.72 0.00 -1.07 -3.22 119.26 114.21 1bjj h ALA 23 Ca 0.00 -0.36 -0.49 0.00 0.00 0.00 0.00 54.91 54.07 1bjj h ALA 23 Cb 0.01 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 17.28 1bjj h ALA 23 CO 0.00 0.54 -0.92 1.19 0.00 0.00 0.00 179.25 180.06 1bjj n PHE 24 N -4.10 2.45 -4.02 0.00 3.72 -1.24 -3.00 117.46 111.27 1bjj n PHE 24 Ca -0.01 -2.86 -0.34 0.00 -0.05 0.00 0.00 57.45 54.19 1bjj n PHE 24 Cb 0.42 -0.22 -0.10 0.00 -0.94 0.00 0.00 39.48 38.65 1bjj n PHE 24 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1bjj s TYR 25 N -3.42 3.24 0.00 1.38 6.14 -1.25 0.10 117.35 123.54 1bjj s TYR 25 Ca 0.40 0.05 0.00 0.00 0.64 0.00 0.00 57.07 58.15 1bjj s TYR 25 Cb 0.42 -2.08 0.00 0.00 0.42 0.00 0.00 41.96 40.72 1bjj s TYR 25 CO -0.08 0.14 0.00 0.41 0.64 0.00 0.00 175.55 176.66 1bjj n GLY 26 N 3.56 2.20 0.00 8.97 0.00 -0.64 -2.21 105.19 117.07 1bjj n GLY 26 Ca -0.17 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.52 1bjj n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bjj n TYR 28 N -1.69 0.00 -2.85 0.00 4.01 -1.25 -3.28 117.16 112.10 1bjj n TYR 28 Ca 0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.37 1bjj n TYR 28 Cb 0.38 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.35 1bjj n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bjj n GLY 30 N 1.08 0.30 2.26 0.00 0.00 -1.16 -3.84 105.19 103.84 1bjj n GLY 30 Ca -0.01 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 1bjj n GLY 30 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bjj n TRP 31 N 11.70 0.78 0.00 1.61 8.01 -1.25 -4.86 117.44 133.43 1bjj n TRP 31 Ca 0.00 -1.72 0.00 0.00 -1.31 0.00 0.00 57.50 54.47 1bjj n TRP 31 Cb 0.00 -1.63 0.00 0.00 -2.01 0.00 0.00 31.31 27.67 1bjj n TRP 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1bjj n GLY 32 N 3.06 0.00 0.00 6.99 0.00 -1.25 -4.97 105.19 109.02 1bjj n GLY 32 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1bjj n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bjj n GLY 33 N 0.00 0.08 3.83 -0.02 0.00 -1.21 -4.35 105.19 103.52 1bjj n GLY 33 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 1bjj n GLY 33 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bjj s GLN 34 N -0.16 1.94 0.22 1.61 1.03 -1.24 -5.00 119.66 118.06 1bjj s GLN 34 Ca 0.00 -1.23 0.00 0.00 0.04 0.00 0.00 55.36 54.17 1bjj s GLN 34 Cb 0.00 0.56 0.00 0.00 0.03 0.00 0.00 33.01 33.60 1bjj s GLN 34 CO 0.00 -0.91 0.00 0.41 -2.54 0.00 0.00 175.29 172.25 1bjj n GLY 35 N -0.56 -1.67 3.57 2.60 0.00 -1.25 -4.77 105.19 103.11 1bjj n GLY 35 Ca -0.07 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 1bjj n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bjj s LYS 36 N 0.00 2.62 0.19 1.61 -0.14 -1.26 -2.70 119.74 120.05 1bjj s LYS 36 Ca 0.00 -0.64 -0.33 0.00 -1.36 0.00 0.00 55.97 53.64 1bjj s LYS 36 Cb 0.00 -2.51 -0.14 0.00 -1.68 0.00 0.00 37.83 33.49 1bjj s LYS 36 CO 0.00 0.63 1.40 -2.30 -0.76 0.00 0.00 175.35 174.32 1bjj n PRO 37 N 1.98 1.78 -0.14 -1.68 -0.02 -1.26 -4.75 135.00 130.91 1bjj n PRO 37 Ca -0.17 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 61.84 1bjj n PRO 37 Cb 0.53 -2.29 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 1bjj n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1bjj h LYS 38 N 4.54 0.77 0.00 -0.52 6.56 -1.96 -3.46 116.57 122.50 1bjj h LYS 38 Ca -0.45 -0.29 -0.04 0.00 -1.06 0.00 0.00 60.65 58.82 1bjj h LYS 38 Cb 1.29 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.90 1bjj h LYS 38 CO 0.78 0.90 0.01 -0.40 -2.06 0.00 0.00 179.45 178.68 1bjj n ASP 39 N -4.35 -0.38 -0.03 0.86 5.75 -1.26 -5.00 116.55 112.14 1bjj n ASP 39 Ca -0.01 -1.38 -0.10 0.00 -0.01 0.00 0.00 54.79 53.30 1bjj n ASP 39 Cb 0.35 0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 41.06 1bjj n ASP 39 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1bjj h GLY 40 N 0.42 -0.40 0.60 6.12 0.00 -1.93 0.00 103.07 107.88 1bjj h GLY 40 Ca -0.06 0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.70 1bjj h GLY 40 CO 0.08 -0.21 -0.18 -0.84 0.00 0.00 0.00 176.54 175.38 1bjj h THR 41 N -0.36 0.56 -0.84 4.70 2.02 -1.89 -2.25 112.91 114.85 1bjj h THR 41 Ca 0.12 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.46 1bjj h THR 41 Cb 0.55 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 1bjj h THR 41 CO -0.41 0.00 0.55 -0.78 0.37 0.00 0.00 175.52 175.25 1bjj h ASP 42 N -0.32 0.48 0.46 4.18 3.58 -1.79 0.18 116.42 123.19 1bjj h ASP 42 Ca 0.05 0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 1bjj h ASP 42 Cb 0.37 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1bjj h ASP 42 CO -0.15 0.23 -0.38 -0.09 -2.88 0.00 0.00 179.24 175.97 1bjj h ARG 43 N 0.50 0.00 -0.94 0.28 2.43 -0.42 -2.31 114.38 113.92 1bjj h ARG 43 Ca 0.42 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.66 1bjj h ARG 43 Cb 0.90 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.38 1bjj h ARG 43 CO -0.16 0.38 0.60 0.00 -1.51 0.00 0.00 179.97 179.27 1bjj h PHE 46 N 0.62 0.65 -0.01 0.00 3.57 -0.78 -1.79 116.94 119.20 1bjj h PHE 46 Ca 0.07 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 1bjj h PHE 46 Cb 0.81 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1bjj h PHE 46 CO 0.06 0.43 -0.41 0.28 -2.23 0.00 0.00 178.31 176.44 1bjj h VAL 47 N 0.68 1.30 -0.39 1.41 2.07 -1.06 -2.17 116.25 118.09 1bjj h VAL 47 Ca 0.18 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 1bjj h VAL 47 Cb -0.05 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1bjj h VAL 47 CO -0.04 0.41 0.13 -0.74 0.02 0.00 0.00 177.57 177.35 1bjj h HIS 48 N 0.02 0.61 -0.52 1.57 -0.00 -0.90 0.25 115.15 116.17 1bjj h HIS 48 Ca -0.00 -0.06 0.04 0.00 -0.00 0.00 0.00 60.37 60.35 1bjj h HIS 48 Cb 0.74 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.93 1bjj h HIS 48 CO 0.00 0.57 0.28 -0.44 -0.00 0.00 0.00 177.93 178.34 1bjj h ASP 49 N 0.48 0.42 -0.60 3.26 5.19 -1.01 -0.88 116.42 123.28 1bjj h ASP 49 Ca 0.13 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1bjj h ASP 49 Cb 0.24 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 1bjj h ASP 49 CO -0.01 0.29 0.31 0.00 -3.12 0.00 0.00 179.24 176.71 1bjj h TYR 52 N -0.44 0.91 -0.71 0.00 -1.99 -1.05 -1.95 116.97 111.74 1bjj h TYR 52 Ca 0.01 -0.00 0.16 0.00 2.00 0.00 0.00 58.73 60.90 1bjj h TYR 52 Cb 0.43 -0.30 -0.04 0.00 2.00 0.00 0.00 36.73 38.82 1bjj h TYR 52 CO -0.18 0.61 0.48 0.78 -0.00 0.00 0.00 178.16 179.86 1bjj h GLY 53 N 0.99 0.48 1.50 3.88 0.00 0.14 0.74 103.07 110.79 1bjj h GLY 53 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1bjj h GLY 53 CO -0.05 0.04 0.00 0.54 0.00 0.00 0.00 176.54 177.07 1bjj n ARG 54 N -4.44 0.44 -2.48 4.80 1.74 -0.73 -3.76 116.66 112.22 1bjj n ARG 54 Ca 0.14 0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.91 1bjj n ARG 54 Cb 0.59 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 1bjj n ARG 54 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1bjj n LEU 55 N -1.25 5.97 -0.24 0.55 4.32 0.25 -4.87 117.00 121.74 1bjj n LEU 55 Ca 0.14 -5.27 0.32 0.00 -0.02 0.00 0.00 56.01 51.17 1bjj n LEU 55 Cb 0.20 -0.80 0.68 0.00 -1.62 0.00 0.00 43.42 41.88 1bjj n LEU 55 CO 0.20 2.10 1.29 -0.37 -1.22 0.00 0.00 177.39 179.39 1bjj h VAL 56 N 2.45 0.24 -0.16 4.08 -1.51 -1.73 -1.58 116.25 118.04 1bjj h VAL 56 Ca 0.38 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.83 1bjj h VAL 56 Cb 0.46 0.32 -0.01 0.00 -2.13 0.00 0.00 31.29 29.92 1bjj h VAL 56 CO 1.07 0.00 -0.03 -0.46 -1.23 0.00 0.00 177.57 176.91 1bjj n ASN 59 N -3.79 3.04 -4.58 4.19 2.04 -1.26 -5.00 115.26 109.89 1bjj n ASN 59 Ca 0.23 -3.18 -0.28 0.00 -0.44 0.00 0.00 54.58 50.91 1bjj n ASN 59 Cb 1.26 -0.51 -0.09 0.00 -2.53 0.00 0.00 39.78 37.90 1bjj n ASN 59 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1bjj n ASN 67 N 0.36 5.36 -0.24 0.00 2.85 -1.26 -4.81 115.26 117.53 1bjj n ASN 67 Ca -0.12 -3.08 0.32 0.00 -0.11 0.00 0.00 54.58 51.59 1bjj n ASN 67 Cb 0.54 -1.48 0.73 0.00 1.24 0.00 0.00 39.78 40.81 1bjj n ASN 67 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1bjj h THR 68 N 4.06 0.44 0.06 -0.44 1.35 -1.93 -0.31 112.91 116.14 1bjj h THR 68 Ca 0.31 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 66.04 1bjj h THR 68 Cb 0.76 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1bjj h THR 68 CO 1.35 0.00 -0.65 0.11 -0.25 0.00 0.00 175.52 176.08 1bjj h LYS 69 N 0.00 0.12 0.00 4.72 1.79 -1.99 -3.38 116.57 117.84 1bjj h LYS 69 Ca 0.49 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1bjj h LYS 69 Cb 2.01 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.74 1bjj h LYS 69 CO -0.01 1.10 -1.16 -1.13 -1.08 0.00 0.00 179.45 177.18 1bjj n SER 70 N -4.34 0.87 -4.67 0.86 3.41 -1.09 -1.11 113.62 107.55 1bjj n SER 70 Ca -0.17 -0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 57.44 1bjj n SER 70 Cb 0.67 1.28 -0.03 0.00 -0.26 0.00 0.00 64.21 65.88 1bjj n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bjj s ASP 71 N -3.10 6.48 -0.15 4.04 -1.08 -0.15 -4.64 116.67 118.07 1bjj s ASP 71 Ca 0.02 2.62 -0.25 0.00 -0.52 0.00 0.00 52.55 54.42 1bjj s ASP 71 Cb 0.12 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 39.02 1bjj s ASP 71 CO 0.71 -1.01 0.82 -0.63 0.52 0.00 0.00 175.17 175.58 1bjj s ILE 72 N 3.77 4.90 0.40 4.11 1.01 -1.26 -0.83 121.20 133.30 1bjj s ILE 72 Ca 0.83 1.63 0.07 0.00 0.00 0.00 0.00 60.65 63.19 1bjj s ILE 72 Cb -0.42 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 37.85 1bjj s ILE 72 CO 0.38 0.06 0.10 -0.72 0.00 0.00 0.00 174.94 174.76 1bjj s TYR 73 N 1.93 2.57 -0.16 3.97 -0.85 -1.26 -4.96 117.35 118.60 1bjj s TYR 73 Ca 0.39 -0.59 -0.06 0.00 -0.52 0.00 0.00 57.07 56.29 1bjj s TYR 73 Cb -0.17 -1.84 -0.04 0.00 0.38 0.00 0.00 41.96 40.30 1bjj s TYR 73 CO 0.14 0.31 0.03 -1.54 -1.52 0.00 0.00 175.55 172.98 1bjj s SER 74 N -3.81 5.42 0.14 -0.18 1.04 -1.26 -4.99 113.70 110.06 1bjj s SER 74 Ca 0.38 0.07 -0.13 0.00 0.48 0.00 0.00 55.95 56.75 1bjj s SER 74 Cb 0.05 -1.85 0.01 0.00 0.10 0.00 0.00 66.02 64.34 1bjj s SER 74 CO 0.21 0.22 0.35 -0.72 0.98 0.00 0.00 173.24 174.27 1bjj s TYR 75 N 0.08 0.05 0.09 5.02 1.13 -1.26 0.14 117.35 122.60 1bjj s TYR 75 Ca 0.04 -0.41 -0.21 0.00 -1.41 0.00 0.00 57.07 55.07 1bjj s TYR 75 Cb -0.13 0.13 0.05 0.00 -1.10 0.00 0.00 41.96 40.92 1bjj s TYR 75 CO 0.01 -0.71 0.52 -1.54 -2.51 0.00 0.00 175.55 171.32 1bjj s SER 76 N -2.87 -0.44 -1.24 -0.18 1.04 0.36 -4.87 113.70 105.49 1bjj s SER 76 Ca 0.08 0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.41 1bjj s SER 76 Cb 0.02 0.52 0.15 0.00 0.10 0.00 0.00 66.02 66.82 1bjj s SER 76 CO -0.07 -0.82 1.58 0.18 0.98 0.00 0.00 173.24 175.09 1bjj n LEU 77 N 0.05 5.48 -4.56 2.42 7.99 -1.26 -0.57 117.00 126.56 1bjj n LEU 77 Ca -0.17 -4.42 -0.41 0.00 -0.01 0.00 0.00 56.01 51.00 1bjj n LEU 77 Cb 0.62 -1.61 -0.03 0.00 -0.11 0.00 0.00 43.42 42.29 1bjj n LEU 77 CO 0.17 0.78 1.23 -0.75 -1.51 0.00 0.00 177.39 177.31 1bjj s LYS 78 N 1.74 3.16 -0.84 3.23 2.20 -0.51 -3.69 119.74 125.03 1bjj s LYS 78 Ca 0.44 0.01 -0.04 0.00 -0.36 0.00 0.00 55.97 56.02 1bjj s LYS 78 Cb 0.01 -4.19 -0.05 0.00 -1.51 0.00 0.00 37.83 32.10 1bjj s LYS 78 CO 0.01 -2.16 0.73 -1.91 -0.36 0.00 0.00 175.35 171.66 1bjj n GLU 79 N 9.17 -2.30 -3.27 4.03 0.00 -1.26 -2.89 120.64 124.12 1bjj n GLU 79 Ca 0.07 0.68 -0.21 0.00 0.00 0.00 0.00 57.16 57.70 1bjj n GLU 79 Cb 0.49 -4.95 -0.01 0.00 0.00 0.00 0.00 31.44 26.98 1bjj n GLU 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1bjj n GLY 80 N -1.26 -0.48 2.80 8.31 0.00 -1.24 -4.93 105.19 108.39 1bjj n GLY 80 Ca -0.08 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1bjj n GLY 80 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bjj s TYR 81 N -2.83 0.50 -0.08 1.61 1.51 -1.14 -5.10 117.35 111.81 1bjj s TYR 81 Ca 0.35 -0.07 -0.29 0.00 -1.01 0.00 0.00 57.07 56.04 1bjj s TYR 81 Cb -0.19 -0.60 -0.06 0.00 -0.11 0.00 0.00 41.96 41.00 1bjj s TYR 81 CO 0.43 -0.22 1.80 0.42 -1.11 0.00 0.00 175.55 176.88 1bjj s ILE 82 N 1.44 3.38 -0.08 2.71 1.01 -1.26 -1.43 121.20 126.97 1bjj s ILE 82 Ca -0.04 0.44 0.04 0.00 0.00 0.00 0.00 60.65 61.09 1bjj s ILE 82 Cb -0.13 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1bjj s ILE 82 CO -0.03 -0.09 -0.19 -0.89 0.00 0.00 0.00 174.94 173.75 1bjj s THR 83 N 4.90 1.63 0.07 2.92 2.01 0.27 -4.94 115.64 122.49 1bjj s THR 83 Ca 0.80 -0.78 -0.24 0.00 0.31 0.00 0.00 61.69 61.79 1bjj s THR 83 Cb -0.34 -1.42 -0.06 0.00 0.01 0.00 0.00 72.50 70.68 1bjj s THR 83 CO 0.34 0.46 0.73 0.00 -0.69 0.00 0.00 174.62 175.46 1bjj n GLY 85 N 2.16 -0.98 3.81 0.00 0.00 0.12 -4.93 105.19 105.37 1bjj n GLY 85 Ca -0.04 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 1bjj n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bjj s LYS 86 N -5.33 4.23 0.00 1.61 2.20 -1.26 -4.77 119.74 116.42 1bjj s LYS 86 Ca 0.63 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 1bjj s LYS 86 Cb -0.02 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 1bjj s LYS 86 CO 0.44 0.53 0.00 0.41 -0.36 0.00 0.00 175.35 176.37 1bjj n GLY 88 N 1.24 1.85 3.90 5.54 0.00 -1.26 -4.83 105.19 111.63 1bjj n GLY 88 Ca -0.06 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1bjj n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bjj s THR 89 N 0.90 4.90 0.28 2.61 -4.23 -1.26 -4.87 115.64 113.97 1bjj s THR 89 Ca 0.00 0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.78 1bjj s THR 89 Cb 0.00 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 70.26 1bjj s THR 89 CO 0.00 -0.79 1.77 -1.13 -0.54 0.00 0.00 174.62 173.93 1bjj h ASN 90 N 0.41 0.64 -0.29 3.99 -0.73 -2.02 0.76 115.58 118.34 1bjj h ASN 90 Ca -0.47 0.09 -0.03 0.00 1.87 0.00 0.00 56.30 57.76 1bjj h ASN 90 Cb 1.20 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.76 1bjj h ASN 90 CO 0.62 0.25 0.07 0.00 -0.37 0.00 0.00 177.43 178.00 1bjj h GLU 92 N 0.31 0.02 -0.38 0.00 5.08 -1.60 0.22 114.58 118.23 1bjj h GLU 92 Ca 0.09 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1bjj h GLU 92 Cb 0.30 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1bjj h GLU 92 CO 0.00 0.05 -0.14 0.93 -1.00 0.00 0.00 179.01 178.85 1bjj h GLU 93 N -0.01 0.69 -0.09 2.33 5.08 -0.79 -0.24 114.58 121.54 1bjj h GLU 93 Ca 0.01 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1bjj h GLU 93 Cb 0.03 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1bjj h GLU 93 CO -0.00 0.80 -0.24 1.96 -1.00 0.00 0.00 179.01 180.53 1bjj h GLN 94 N 0.62 0.32 -0.29 2.33 1.08 -0.32 -2.28 115.11 116.57 1bjj h GLN 94 Ca 0.10 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1bjj h GLN 94 Cb 0.59 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1bjj h GLN 94 CO 0.04 0.83 0.19 0.82 -0.95 0.00 0.00 178.83 179.76 1bjj h ILE 95 N -0.15 1.08 -0.76 2.54 2.04 -0.49 -1.74 117.51 120.03 1bjj h ILE 95 Ca -0.00 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.77 1bjj h ILE 95 Cb 0.85 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 1bjj h ILE 95 CO 0.05 0.08 0.45 0.00 0.00 0.00 0.00 178.15 178.73 1bjj h GLU 97 N 0.82 1.14 -0.45 0.00 4.39 -0.90 0.23 114.58 119.82 1bjj h GLU 97 Ca 0.34 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.93 1bjj h GLU 97 Cb 0.19 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1bjj h GLU 97 CO -0.18 0.84 0.25 0.00 -1.16 0.00 0.00 179.01 178.76 1bjj h ASP 99 N 0.50 -0.13 -0.16 0.00 3.32 -0.74 -2.76 116.42 116.46 1bjj h ASP 99 Ca 0.19 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.06 1bjj h ASP 99 Cb 0.05 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.57 1bjj h ASP 99 CO -0.10 0.15 -0.40 -0.09 -1.72 0.00 0.00 179.24 177.08 1bjj h ARG 100 N -0.43 -0.44 -0.84 3.56 2.43 -0.40 -1.65 114.38 116.61 1bjj h ARG 100 Ca -0.02 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1bjj h ARG 100 Cb 0.35 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 1bjj h ARG 100 CO 0.03 -0.29 0.54 0.28 -1.51 0.00 0.00 179.97 179.02 1bjj h VAL 101 N -0.46 1.14 -0.62 0.20 2.07 -1.44 -2.51 116.25 114.64 1bjj h VAL 101 Ca 0.09 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1bjj h VAL 101 Cb 0.61 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1bjj h VAL 101 CO -0.40 0.19 0.17 0.00 0.02 0.00 0.00 177.57 177.55 1bjj h ALA 102 N 1.34 0.82 -0.69 1.67 0.00 -1.15 -0.30 119.26 120.96 1bjj h ALA 102 Ca 0.33 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1bjj h ALA 102 Cb -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1bjj h ALA 102 CO -0.11 0.51 0.18 0.00 0.00 0.00 0.00 179.25 179.83 1bjj h ALA 103 N 1.06 1.03 -0.03 0.00 0.00 -1.09 -1.85 119.26 118.37 1bjj h ALA 103 Ca 0.20 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1bjj h ALA 103 Cb 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1bjj h ALA 103 CO -0.00 0.64 -0.64 0.93 0.00 0.00 0.00 179.25 180.18 1bjj h GLU 104 N 1.03 0.13 -0.71 0.00 5.08 -1.26 -2.89 114.58 115.95 1bjj h GLU 104 Ca 0.22 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1bjj h GLU 104 Cb 0.34 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1bjj h GLU 104 CO -0.00 0.72 0.42 0.00 -1.00 0.00 0.00 179.01 179.15 1bjj h PHE 106 N 0.97 0.88 0.07 0.00 0.04 -1.21 -2.24 116.94 115.45 1bjj h PHE 106 Ca 0.25 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 1bjj h PHE 106 Cb -0.02 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 37.84 1bjj h PHE 106 CO -0.01 0.61 -0.03 -0.09 -0.60 0.00 0.00 178.31 178.19 1bjj h ARG 107 N 0.90 -0.09 0.00 1.51 2.43 -1.22 -2.58 114.38 115.32 1bjj h ARG 107 Ca 0.23 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1bjj h ARG 107 Cb 0.00 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1bjj h ARG 107 CO -0.04 0.06 -0.07 0.00 -1.51 0.00 0.00 179.97 178.41 1bjj h ARG 108 N -0.23 0.00 -0.67 0.20 3.08 -1.13 -1.30 114.38 114.33 1bjj h ARG 108 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1bjj h ARG 108 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1bjj h ARG 108 CO 0.02 0.07 0.00 0.09 -1.07 0.00 0.00 179.97 179.08 1bjj n ASN 109 N -3.97 4.80 -0.35 7.04 4.13 -0.86 -4.45 115.26 121.60 1bjj n ASN 109 Ca -0.03 -2.42 0.08 0.00 1.68 0.00 0.00 54.58 53.89 1bjj n ASN 109 Cb 0.16 -0.58 0.26 0.00 -1.54 0.00 0.00 39.78 38.08 1bjj n ASN 109 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1bjj h LEU 110 N 4.20 0.89 -2.11 3.41 4.07 -0.83 -1.27 115.31 123.67 1bjj h LEU 110 Ca 0.00 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 1bjj h LEU 110 Cb 1.45 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 43.06 1bjj h LEU 110 CO 0.22 0.45 -0.00 -2.24 -1.08 0.00 0.00 178.44 175.80 1bjj h ASP 111 N 0.94 0.00 -0.57 -0.43 2.03 -1.81 -2.16 116.42 114.42 1bjj h ASP 111 Ca 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.80 1bjj h ASP 111 Cb 0.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 1bjj h ASP 111 CO -0.27 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 178.29 1bjj n THR 112 N -4.37 1.17 -1.87 1.15 -2.24 -0.51 -4.97 114.28 102.64 1bjj n THR 112 Ca -0.03 -1.06 -0.42 0.00 -2.27 0.00 0.00 64.05 60.27 1bjj n THR 112 Cb 0.09 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1bjj n THR 112 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1bjj s TYR 113 N -1.20 3.01 -0.19 4.78 5.04 -0.82 -4.87 117.35 123.11 1bjj s TYR 113 Ca 0.40 0.57 0.01 0.00 -2.44 0.00 0.00 57.07 55.61 1bjj s TYR 113 Cb 0.22 -3.99 0.02 0.00 0.35 0.00 0.00 41.96 38.57 1bjj s TYR 113 CO 0.25 -3.65 -0.19 1.21 -1.34 0.00 0.00 175.55 171.84 1bjj s ASN 114 N 1.10 3.26 0.42 4.32 3.84 -1.26 -4.98 114.94 121.64 1bjj s ASN 114 Ca 0.71 -0.73 0.29 0.00 0.21 0.00 0.00 52.86 53.34 1bjj s ASN 114 Cb -0.45 -1.47 1.50 0.00 -0.55 0.00 0.00 41.25 40.27 1bjj s ASN 114 CO 0.32 -0.03 1.88 0.78 -2.79 0.00 0.00 177.10 177.27 1bjj h ASN 115 N 7.93 0.00 0.90 -4.21 -0.26 -1.97 -0.55 115.58 117.42 1bjj h ASN 115 Ca -0.42 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.32 1bjj h ASN 115 Cb 1.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.39 1bjj h ASN 115 CO 0.61 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.59 1bjj n GLY 116 N -0.94 -1.36 0.06 2.83 0.00 -1.26 -2.70 105.19 101.82 1bjj n GLY 116 Ca -0.01 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1bjj n GLY 116 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bjj n TYR 117 N -1.77 0.45 -1.93 1.61 4.01 -0.22 -4.76 117.16 114.56 1bjj n TYR 117 Ca 0.05 0.13 -0.40 0.00 -0.16 0.00 0.00 57.90 57.52 1bjj n TYR 117 Cb 0.29 -0.64 -0.00 0.00 -0.31 0.00 0.00 39.34 38.68 1bjj n TYR 117 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 1bjj s MET 118 N -3.34 4.07 -1.40 -0.72 1.75 -1.10 -1.62 119.30 116.94 1bjj s MET 118 Ca -0.01 2.38 -0.10 0.00 -1.25 0.00 0.00 55.69 56.71 1bjj s MET 118 Cb 0.13 -2.90 0.03 0.00 2.84 0.00 0.00 34.83 34.93 1bjj s MET 118 CO 0.83 -0.49 1.12 1.19 -0.65 0.00 0.00 175.02 177.02 1bjj n PHE 119 N 0.36 -2.69 -2.77 4.11 3.01 0.29 -4.92 117.46 114.85 1bjj n PHE 119 Ca 0.02 0.98 -0.42 0.00 1.01 0.00 0.00 57.45 59.04 1bjj n PHE 119 Cb 0.41 -4.75 -0.03 0.00 -0.01 0.00 0.00 39.48 35.10 1bjj n PHE 119 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1bjj s TYR 120 N -3.32 3.48 -0.01 1.38 5.04 -0.72 -4.98 117.35 118.22 1bjj s TYR 120 Ca 0.58 1.46 -0.30 0.00 -2.44 0.00 0.00 57.07 56.37 1bjj s TYR 120 Cb -0.26 -3.12 -0.07 0.00 0.35 0.00 0.00 41.96 38.86 1bjj s TYR 120 CO 0.76 -0.23 1.71 0.50 -1.34 0.00 0.00 175.55 176.95 1bjj s ARG 121 N 2.06 4.18 0.22 4.97 6.06 -1.26 -4.74 118.95 130.43 1bjj s ARG 121 Ca 0.44 2.30 0.14 0.00 -2.50 0.00 0.00 55.73 56.11 1bjj s ARG 121 Cb -0.17 -3.94 0.74 0.00 0.06 0.00 0.00 34.95 31.64 1bjj s ARG 121 CO 0.15 -0.84 1.39 -0.25 -2.50 0.00 0.00 175.30 173.25 1bjj n ASP 122 N 6.89 0.36 0.18 -2.12 8.00 -1.26 -0.12 116.55 128.47 1bjj n ASP 122 Ca 0.17 0.64 0.05 0.00 0.71 0.00 0.00 54.79 56.36 1bjj n ASP 122 Cb 0.42 -0.67 0.28 0.00 -0.02 0.00 0.00 41.12 41.13 1bjj n ASP 122 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1bjj h SER 124 N 0.00 0.00 -0.20 -2.24 4.64 -1.99 -2.78 113.55 110.98 1bjj h SER 124 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bjj h SER 124 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1bjj h SER 124 CO 0.00 0.41 0.00 0.29 -0.87 0.00 0.00 176.83 176.66 1bjj n LYS 125 N -3.49 1.48 -2.32 4.77 5.02 0.83 -4.05 118.16 120.40 1bjj n LYS 125 Ca 0.00 -0.75 -0.35 0.00 -2.02 0.00 0.00 58.31 55.19 1bjj n LYS 125 Cb 0.55 -1.17 0.02 0.00 -0.02 0.00 0.00 35.03 34.41 1bjj n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bjj s THR 127 N -5.01 5.33 -0.07 0.00 2.01 -1.26 -3.80 115.64 112.85 1bjj s THR 127 Ca 0.48 -2.01 -0.30 0.00 0.31 0.00 0.00 61.69 60.18 1bjj s THR 127 Cb 0.37 -4.49 0.11 0.00 0.01 0.00 0.00 72.50 68.50 1bjj s THR 127 CO -0.27 -1.08 0.96 -1.83 -0.69 0.00 0.00 174.62 171.71 1bjj s GLU 128 N 1.05 0.70 -0.32 4.92 -1.05 -1.26 -5.03 118.70 117.71 1bjj s GLU 128 Ca 0.17 -0.18 -0.34 0.00 -0.15 0.00 0.00 54.97 54.46 1bjj s GLU 128 Cb -0.15 0.32 -0.11 0.00 -0.44 0.00 0.00 34.13 33.76 1bjj s GLU 128 CO -0.05 -0.29 2.17 2.41 0.95 0.00 0.00 175.26 180.45 1bjj n THR 129 N -0.02 0.22 -1.70 1.83 -1.04 -1.26 -3.74 114.28 108.58 1bjj n THR 129 Ca -0.08 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 1bjj n THR 129 Cb 0.60 -1.75 -0.00 0.00 -1.82 0.00 0.00 70.33 67.36 1bjj n THR 129 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1bjj n SER 130 N 9.84 2.75 -4.75 8.00 7.64 -1.26 -4.55 113.62 131.29 1bjj n SER 130 Ca 0.39 1.18 -0.32 0.00 1.01 0.00 0.00 58.87 61.13 1bjj n SER 130 Cb 0.25 -1.50 0.09 0.00 -1.01 0.00 0.00 64.21 62.05 1bjj n SER 130 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1bjj s GLU 131 N -2.00 2.18 0.03 1.43 2.02 -1.10 -4.88 118.70 116.37 1bjj s GLU 131 Ca 0.57 1.37 -0.01 0.00 0.02 0.00 0.00 54.97 56.92 1bjj s GLU 131 Cb -0.54 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.77 1bjj s GLU 131 CO 0.61 -1.73 0.18 -2.00 0.02 0.00 0.00 175.26 172.34 1bjj s GLU 132 N -4.52 3.36 0.00 1.61 2.56 -1.26 -5.02 118.70 115.43 1bjj s GLU 132 Ca 0.65 -0.42 0.22 0.00 0.00 0.00 0.00 54.97 55.43 1bjj s GLU 132 Cb -0.20 -3.02 1.34 0.00 2.00 0.00 0.00 34.13 34.24 1bjj s GLU 132 CO 0.51 0.64 1.71 0.00 -0.56 0.00 0.00 175.26 177.56